N-[(Z)-anthracen-9-ylmethylideneamino]-3-methylidenecyclobutane-1-carboxamide

C21H18N2O — CID 5405849

IUPACN-[(Z)-anthracen-9-ylmethylideneamino]-3-methylidenecyclobutane-1-carboxamide
SMILESC=C1CC(C(=O)N/N=C\c2c3ccccc3cc3ccccc23)C1
InChIInChI=1S/C21H18N2O/c1-14-10-17(11-14)21(24)23-22-13-20-18-8-4-2-6-15(18)12-16-7-3-5-9-19(16)20/h2-9,12-13,17H,1,10-11H2,(H,23,24)/b22-13-
InChIKeyANTVAZYMZWOFSY-XKZIYDEJSA-N
MW314.39 g/mol
LogP4.41
Rot. Bonds3

About N-[(Z)-anthracen-9-ylmethylideneamino]-3-methylidenecyclobutane-1-carboxamide

N-[(Z)-anthracen-9-ylmethylideneamino]-3-methylidenecyclobutane-1-carboxamide (PubChem CID 5405849) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[(Z)-anthracen-9-ylmethylideneamino]-3-methylidenecyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[(Z)-anthracen-9-ylmethylideneamino]-3-methylidenecyclobutane-1-carboxamide
PubChem CID5405849
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC NameN-[(Z)-anthracen-9-ylmethylideneamino]-3-methylidenecyclobutane-1-carboxamide
SMILESC=C1CC(C(=O)N/N=C\c2c3ccccc3cc3ccccc23)C1
InChIInChI=1S/C21H18N2O/c1-14-10-17(11-14)21(24)23-22-13-20-18-8-4-2-6-15(18)12-16-7-3-5-9-19(16)20/h2-9,12-13,17H,1,10-11H2,(H,23,24)/b22-13-
InChIKeyANTVAZYMZWOFSY-XKZIYDEJSA-N
XLogP4.41
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

(1S,2R)-N-[(Z)-anthracen-9-ylmethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 40553633
(3S)-N-[(E)-anthracen-9-ylmethylideneamino]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 126161540
N'-[(Z)-anthracen-9-ylmethylideneamino]-N-cyclopropyloxamide
CID 5375697
N'-[(Z)-anthracen-9-ylmethylideneamino]-N-methyloxamide
CID 7718958
N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]cyclopropanecarboxamide
CID 9234678
N-(anthracen-9-ylmethylideneamino)-4-hydroxybenzamide
CID 702160
(anthracen-9-ylmethylideneamino)thiourea
CID 668113
N-(anthracen-9-ylmethylideneamino)-1-hydroxynaphthalene-2-carboxamide
CID 3995979
N-[(Z)-anthracen-9-ylmethylideneamino]-3-hydroxybenzamide
CID 6016653
(2R)-N-[(Z)-anthracen-9-ylmethylideneamino]-2-hydroxy-2-phenylacetamide
CID 5435830
N-[(Z)-naphthalen-1-ylmethylideneamino]cyclopropanecarboxamide
CID 5420009
N-[(Z)-anthracen-9-ylmethylideneamino]-3,4-dichlorobenzamide
CID 6139999

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-anthracen-9-ylmethylideneamino]-3-methylidenecyclobutane-1-carboxamide?
The IUPAC name of N-[(Z)-anthracen-9-ylmethylideneamino]-3-methylidenecyclobutane-1-carboxamide (CID 5405849) is N-[(Z)-anthracen-9-ylmethylideneamino]-3-methylidenecyclobutane-1-carboxamide.
What is the SMILES notation for N-[(Z)-anthracen-9-ylmethylideneamino]-3-methylidenecyclobutane-1-carboxamide?
The canonical SMILES for N-[(Z)-anthracen-9-ylmethylideneamino]-3-methylidenecyclobutane-1-carboxamide is C=C1CC(C(=O)N/N=C\c2c3ccccc3cc3ccccc23)C1.
What is the InChIKey of N-[(Z)-anthracen-9-ylmethylideneamino]-3-methylidenecyclobutane-1-carboxamide?
The InChIKey is ANTVAZYMZWOFSY-XKZIYDEJSA-N. The full InChI is InChI=1S/C21H18N2O/c1-14-10-17(11-14)21(24)23-22-13-20-18-8-4-2-6-15(18)12-16-7-3-5-9-19(16)20/h2-9,12-13,17H,1,10-11H2,(H,23,24)/b22-13-.
What are the key properties of N-[(Z)-anthracen-9-ylmethylideneamino]-3-methylidenecyclobutane-1-carboxamide?
N-[(Z)-anthracen-9-ylmethylideneamino]-3-methylidenecyclobutane-1-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-anthracen-9-ylmethylideneamino]-3-methylidenecyclobutane-1-carboxamide is sourced from PubChem (CID 5405849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).